Geometry & MOs

Info

ID:

7564

PubChem CID:

73400

Reduced:

NO3C19H22 (2)

Stoich.:

AB3C19D22 (2)

Weight, g/mol:

624.319937

ΔHf, kcal/mol:

-137.0

Dipole, Da:

3.8

IP(EA), eV:

 -8.03(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC

DOS

IR

Vibrations